
 CHEMBL3701960

 36 38  0  0  0  0  0  0  0  0999 V2000
    0.9514    1.3610   -0.7722 C   0  0  0  0  0
   -0.2919    1.7832    0.0217 C   0  0  0  0  0
   -1.4120    0.9152   -0.2068 O   0  0  0  0  0
   -1.1037   -0.4757    0.0486 C   0  0  0  0  0
    0.1480   -0.8807   -0.7832 C   0  0  0  0  0
    1.3333   -0.0384   -0.5130 N   0  0  0  0  0
   -1.0627   -0.7884    1.5429 C   0  0  0  0  0
   -0.3801   -1.9019    2.0478 C   0  0  0  0  0
   -0.3569   -2.1760    3.4212 C   0  0  0  0  0
   -1.0035   -1.3483    4.3406 C   0  0  0  0  0
   -1.7541   -0.2818    3.8316 C   0  0  0  0  0
   -1.7863   -0.0080    2.4579 C   0  0  0  0  0
   -1.0101   -1.5977    5.7277 N   0  0  0  0  0
   -0.0428   -2.2617    6.5217 C   0  0  0  0  0
   -0.3144   -2.5039    7.8803 C   0  0  0  0  0
    0.6170   -3.1822    8.6700 C   0  0  0  0  0
    1.8006   -3.6112    8.0895 C   0  0  0  0  0
    2.0081   -3.3455    6.7491 C   0  0  0  0  0
    1.1174   -2.6897    5.9674 N   0  0  0  0  0
    3.0943   -4.5320    9.1026 Br  0  0  0  0  0
   -1.9223   -1.9150    8.7028 Br  0  0  0  0  0
    0.7626    1.4801   -1.8460 H   0  0  0  0  0
    1.7917    2.0164   -0.5188 H   0  0  0  0  0
   -0.5960    2.7892   -0.2851 H   0  0  0  0  0
   -0.0711    1.8267    1.0935 H   0  0  0  0  0
   -1.9554   -1.0427   -0.3489 H   0  0  0  0  0
    0.4159   -1.9300   -0.6306 H   0  0  0  0  0
   -0.0931   -0.7846   -1.8499 H   0  0  0  0  0
    1.5597   -0.1274    0.4804 H   0  0  0  0  0
    0.1449   -2.5920    1.3932 H   0  0  0  0  0
    0.1751   -3.0615    3.7575 H   0  0  0  0  0
   -2.3212    0.3615    4.5000 H   0  0  0  0  0
   -2.3806    0.8343    2.1070 H   0  0  0  0  0
   -1.4319   -0.8420    6.2573 H   0  0  0  0  0
    0.4184   -3.3720    9.7206 H   0  0  0  0  0
    2.9150   -3.6573    6.2383 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6 29  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  9 10  2  0  0  0
  9 31  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 32  1  0  0  0
 12 33  1  0  0  0
 13 14  1  0  0  0
 13 34  1  0  0  0
 14 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 21  1  0  0  0
 16 17  2  0  0  0
 16 35  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3701960

>  <PubChem CID>
68325589

>  <Formula>
C15H15Br2N3O

>  <Molecular Weight>
413.113000

>  <IUPAC Name>
3,5-dibromo-N-[4-[(2S)-morpholin-2-yl]phenyl]pyridin-2-amine

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1COC(CN1)C2=CC=C(C=C2)NC3=C(C=C(C=N3)Br)Br

>  <Isomeric SMILES>
C1CO[C@H](CN1)C2=CC=C(C=C2)NC3=C(C=C(C=N3)Br)Br

>  <InChI Std. ID>
InChI=1S/C15H15Br2N3O/c16-11-7-13(17)15(19-8-11)20-12-3-1-10(2-4-12)14-9-18-5-6-21-14/h1-4,7-8,14,18H,5-6,9H2,(H,19,20)/t14-/m1/s1

>  <InChI Key>
CJPKOIJMBFKKCS-CQSZACIVSA-N

